(4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one

C25H33N3O3 — CID 142669150

IUPAC(4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
SMILESCc1cc(CN2C[C@H](c3ccccc3)N(C)C2=O)ccc1OCCCN1CCOCC1
InChIInChI=1S/C25H33N3O3/c1-20-17-21(9-10-24(20)31-14-6-11-27-12-15-30-16-13-27)18-28-19-23(26(2)25(28)29)22-7-4-3-5-8-22/h3-5,7-10,17,23H,6,11-16,18-19H2,1-2H3/t23-/m1/s1
InChIKeyMHVRDTNEQIVQTC-HSZRJFAPSA-N
MW423.56 g/mol
LogP3.70
Rot. Bonds8

About (4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one

(4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one (PubChem CID 142669150) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is (4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
PubChem CID142669150
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name(4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
SMILESCc1cc(CN2C[C@H](c3ccccc3)N(C)C2=O)ccc1OCCCN1CCOCC1
InChIInChI=1S/C25H33N3O3/c1-20-17-21(9-10-24(20)31-14-6-11-27-12-15-30-16-13-27)18-28-19-23(26(2)25(28)29)22-7-4-3-5-8-22/h3-5,7-10,17,23H,6,11-16,18-19H2,1-2H3/t23-/m1/s1
InChIKeyMHVRDTNEQIVQTC-HSZRJFAPSA-N
XLogP3.70
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
CID 142669096
3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
CID 171834800
4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
CID 2582852
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
(4S)-1-[[3-bromo-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
CID 142669091
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid
CID 166265933
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869436
4-[4,4-dimethyl-3-[3-[2-methyl-4-(morpholin-4-ylmethyl)phenoxy]propyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 88561230
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one (CID 142669150) is (4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one is Cc1cc(CN2C[C@H](c3ccccc3)N(C)C2=O)ccc1OCCCN1CCOCC1.
What is the InChIKey of (4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one?
The InChIKey is MHVRDTNEQIVQTC-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-20-17-21(9-10-24(20)31-14-6-11-27-12-15-30-16-13-27)18-28-19-23(26(2)25(28)29)22-7-4-3-5-8-22/h3-5,7-10,17,23H,6,11-16,18-19H2,1-2H3/t23-/m1/s1.
What are the key properties of (4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one?
(4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one has a molecular weight of 423.56 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-1-[[3-methyl-4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 142669150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).